SCHEMBL10249981

SCHEMBL10249981

Cc1cccc(N2CCc3nc(-c4cccc[n+]4[O-])oc3C2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.46
GPR119 Q8TDV5 6/20 0.36
KCNH2 Q12809 3/20 0.34
ADRB1 P08588 1/20 0.34
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
VDR P11473 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL505553 0.85 GRM5 (0.66) GRM5GPR119KCNH2
SCHEMBL10250136 0.82 GRM5 (0.52) GRM5GPR119
SCHEMBL10249974 0.78 GRM5 (0.73) GRM5
SCHEMBL10249995 0.78 GRM5 (0.60) GRM5PDGFRBKDR
SCHEMBL10250129 0.78 GRM5 (0.50) GRM5GPR119ADRB1PDGFRBKDR
SCHEMBL10250329 0.76 GRM5 (0.56) GRM5KCNH2PDGFRBKDR
SCHEMBL10250266 0.75 GRM5 (0.48) GRM5GPR119PDGFRBKDR
SCHEMBL10250511 0.73 GPR119 (0.35) GPR119
SCHEMBL10250260 0.72 GRM5 (0.49) GRM5KCNH2ADRB1PDGFRBKDR
SCHEMBL10250406 0.72 GRM5 (0.64) GRM5KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GRM5 1/4885GPR119 94/4885KCNH2 3375/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.